Glycoside
GD018431
Name:
EMBIGENINFormula:
C23H24O10Smiles:
COc1ccc(-c2cc(=O)c3c(O)c([C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)c(OC)cc3o2)cc1Aglycone:
COc1ccc(-c2cc(=O)c3c(O)cc(OC)cc3o2)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.35 |
| AlogP: | 0.7 | Num_rotatable_bonds: | 5 |
| MolWt: | 460.44 | Num_heavy_atoms: | 33 |
| TPSA: | 159.05 | NumAromaticRings: | 3 |
Unique Aglycone
AD12255
Formula: C17H14O5
Smiles:
COc1ccc(-c2cc(=O)c3c(O)cc(OC)cc3o2)cc1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 3.18 | Num_rotatable_bonds: | 3 |
| MolWt: | 298.29 | Num_heavy_atoms: | 22 |
| TPSA: | 68.9 | NumAromaticRings: | 3 |
